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Sugi Predict / Compounds / SCHEMBL3730087

SCHEMBL3730087

SCHEMBL3730087

CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)OCI

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.58
▸ CTSS P25774 3/20 0.58
▸ PSENEN Q9NZ42 1/20 0.51
▸ CA2 P00918 3/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TYR P14679 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3730085 1.00 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL8466501 0.89 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL8466502 0.89 CTSS (0.59) CTSKCTSSPSENENCA2CA1
SCHEMBL3729640 0.89 CTSS (0.51) CTSKCTSSPSENENCA2CA1
SCHEMBL3729638 0.89 CTSS (0.51) CTSKCTSSPSENENCA2CA1
SCHEMBL28469162 0.88 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL28078071 0.88 CTSK (0.58) CTSKCTSSPSENENCA2CA1
SCHEMBL16552568 0.87 CTSK (0.54) CTSKCTSSPSENENCA2CA1
SCHEMBL9972923 0.87 CTSK (0.54) CTSKCTSSPSENENCA2CA1
SCHEMBL1486223 0.87 PSENEN (0.62) CTSKCTSSPSENENCA2CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655377-B1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS SA (CH) 2016-03-30 — — EP disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-9073955-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2015-07-07 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-8889862-B2 2-amino-4-arylthiazole compounds as TRPA1 antagonists GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-11-18 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-20 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2014-02-13 — — US disclosed
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS GLENMARK PHARMACEUTICALS, S.A. (CH) 2012-06-21 — — US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 — — US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 — — US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 — — US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors AB, Medivir (SE) 2002-09-12 — — US disclosed
EP-1150956-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2001-11-07 — — EP disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-2000047561-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2000-08-17 — — WO disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 CTSK 1583/4885CTSS 1386/4885PSENEN 3715/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 CTSK 1583/4885CTSS 1386/4885PSENEN 3715/4885
US-20120157411-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPAI ANTAGONISTS TRPA1, TRPV1, TRPV2 CTSK 2270/4885CTSS 2304/4885PSENEN 1983/4885
US-20140045865-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CTSK 2087/4885CTSS 2404/4885PSENEN 1775/4885
US-20140051667-A1 2-AMINO-4-ARYLTHIAZOLE COMPOUNDS AS TRPA1 ANTAGONISTS TRPA1, TRPV1, TRPV2 CTSK 2087/4885CTSS 2404/4885PSENEN 1775/4885
US-20020128301-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, CBR1, GAR1 CTSK 3753/4885CTSS 2072/4885PSENEN 3835/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.